N-(2-ethylphenyl)-2-[4-(2-thiophen-3-ylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(2-thiophen-3-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(3-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(2-thiophen-3-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(3-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CSC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CSC=C3

InChI

InChI=1S/C20H25N3O2S/c1-2-17-5-3-4-6-18(17)21-19(24)14-22-8-10-23(11-9-22)20(25)13-16-7-12-26-15-16/h3-7,12,15H,2,8-11,13-14H2,1H3,(H,21,24)/p+1